methyl 2-chloranyl-5-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoate Openeye Name: methyl 2-chloro-5-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoate CAS Name: 2-chloro-5-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoate Traditional Name: 2-chloro-5-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzoic acid methyl ester Formula: C18H17ClN3O3+ MolecularWeight: 358.79888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC(=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC(=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H16ClN3O3/c1-11-3-6-16-21-13(8-17(23)22(16)10-11)9-20-12-4-5-15(19)14(7-12)18(24)25-2/h3-8,10,20H,9H2,1-2H3/p+1